8QUQ

Crystal structure of Ompk36 GD at 3500 eV based on spherical harmonics absorption corrections

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-05-20
Detector	DECTRIS PILATUS 12M
Wavelength(s)	3.54
Spacegroup name	C 1 2 1
Unit cell lengths	232.078, 74.700, 91.350
Unit cell angles	90.00, 112.21, 90.00

Refinement procedure

Resolution	107.400 - 2.340
Rwork	0.202
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.429
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	107.400	2.420
High resolution limit [Å]	2.340	2.340
Number of reflections	60662	5634
<I/σ(I)>	16.42
Completeness [%]	98.8
Redundancy	11
CC(1/2)	0.997	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.1M Lithium sulfate, 0.1M sodium citrate pH 5.6 and 12% PEG4000